TL;DR: Novaluron (CAS 116714-46-6) is a chemical compound with molecular formula C17H9ClF8N2O4 and molecular weight 492.0123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: Novaluron, Rimon, Pedestal, Novaluron [ISO], difluorobenzamide
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H9ClF8N2O4 |
| Molecular Weight | 492.0123 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.0123 Da |
| Heavy Atoms | 32 |
| Complexity | 661.0 |
| Melting Point | 176-179 °C |
| Density | 1.66 g/cu cm |
| Vapor Pressure | 0.00000375 [mmHg] |
| Solubility | Soluble in organic solvents |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F |
| InChIKey | NJPPVKZQTLUDBO-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Novaluron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Novaluron. Following Lipinski's Rule of Five, Novaluron has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Novaluron is 116714-46-6.
The molecular formula of Novaluron is C17H9ClF8N2O4.
The molecular weight of Novaluron is 492.0123 g/mol.
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